CID 198304

Brn 0833568

Structural Information

Molecular Formula
C14H17N2O4PS
SMILES
CCOP(=S)(OCC)OC1=NN=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C14H17N2O4PS/c1-3-17-21(22,18-4-2)20-14-11-10-13(15-16-14)19-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
InChIKey
YSNYOIFPPZYKGH-UHFFFAOYSA-N
Compound name
diethoxy-(6-phenoxypyridazin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.06467 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.07195 174.2
[M+Na]+ 363.05389 186.4
[M+NH4]+ 358.09849 180.1
[M+K]+ 379.02783 178.8
[M-H]- 339.05739 175.6
[M+Na-2H]- 361.03934 181.3
[M]+ 340.06412 176.7
[M]- 340.06522 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.